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Collection's Items (Sorted by Submit Date in Descending order): 2101 to 2120 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Imiprothrin_RS_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54230936; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54314505; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54333846; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54239102; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54296957; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF91_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54370159; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF92_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54312000; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF94_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54372163; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF95_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.54359212; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53708982; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF138_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53490446; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF142_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53529921; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF155_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53830906; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF157_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53813461; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF158_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53837279; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53589587; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53593058; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53503380; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53524689; Eh | |||
 | 24-Mar-2025 | Imiprothrin_RS_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1071.53613695; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2101 to 2120 of 6276
